Effect of chemical short-range order and percolation on passivation in binary alloys
We develop a percolation model for face centered cubic binary alloys with chemical short-range order (SRO) to account for chemical ordering/clustering that occurs in nominally random solid solutions. We employ a lattice generation scheme that directly utilizes the first nearest neighbor Warren-Cowley SRO parameter to generate the lattice. We quantify the effects of SRO on the first nearest neighbor three-dimensional (3D) site percolation threshold using the large cell Monte Carlo renormalization group method and find that the 3D site percolation threshold is a function of the SRO parameter. We analyze the effects of SRO on the distribution of the total number of distinct clusters in the percolated structures and find that short-ranged clustering promotes the formation of a dominant spanning cluster. Furthermore, we find that the scaling exponents of percolation are independent of SRO. We also examine the effects of SRO on the 2D--3D percolation crossover and find that the thickness of the thin film for percolation crossover is a function of the SRO parameter. We combine these results to develop a percolation crossover model to understand the electrochemical passivation behavior in binary alloys. The percolation crossover model provides a theoretical framework to understand the critical composition of passivating elements for protective oxide formation. With this model, we show that SRO can be used as a processing parameter to improve corrosion resistance.
Authors
- James M. Rondinelli (ORCID: https://orcid.org/0000-0003-0508-2175)
- Ian McCue (ORCID: https://orcid.org/0000-0002-9393-1255)
- Abhinav Roy (ORCID: https://orcid.org/0000-0003-2218-8131)
- K. Sieradzki (ORCID: https://orcid.org/0000-0002-4789-3956)
Institutions
- Northwestern University (US)
- Arizona State University (US)
Publication Details
- Journal
- Physical review. B./Physical review. B
- Published
- 2024-08-20
- DOI
- https://doi.org/10.1103/physrevb.110.085420
- Citations
- 5
- Primary Topic
- nanoparticles nucleation surface interactions
- Type
- article
- Field-Weighted Citation Impact
- 1.88
Funders
- National Science Foundation